sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium

C138H239ClFN24NaO30PdS4 — CID 164959542

IUPACsodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium
SMILESC.C.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CC2(CC(N)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(NC(=O)OCc3ccccc3)C2)C1.CCO.CN(C(=O)OCc1ccccc1)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2.CN(C)c1cc[n+](S(=O)(=O)NC(=O)OC(C)(C)C)cc1.CN(C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)S(=O)(=O)NC(=O)OC(C)(C)C.CN(C1CC2(CNC2)C1)S(N)(=O)=O.CNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c2cc1C.O=CO[O-].[2H]CF.[CH3-].[Na+].[Pd]
InChIInChI=1S/C20H28N2O4.C19H26N2O4.C17H23N5O2S.C17H31N3O6S.C12H19N3O4S.C12H22N2O2.C11H20N2O2.C10H9ClN2.C7H15N3O2S.C2H6O.CH3F.CH2O3.8CH4.CH3.Na.Pd/c1-19(2,3)26-18(24)22-13-20(14-22)10-16(11-20)21(4)17(23)25-12-15-8-6-5-7-9-15;1-18(2,3)25-17(23)21-12-19(13-21)9-15(10-19)20-16(22)24-11-14-7-5-4-6-8-14;1-11-4-14-15(5-12(11)2)19-10-20-16(14)22-8-17(9-22)6-13(7-17)21(3)25(18,23)24;1-15(2,3)25-13(21)18-27(23,24)19(7)12-8-17(9-12)10-20(11-17)14(22)26-16(4,5)6;1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5;1-11(2,3)16-10(15)14-7-12(8-14)5-9(6-12)13-4;1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-10(13(8,11)12)6-2-7(3-6)4-9-5-7;1-2-3;1-2;2-1-4-3;;;;;;;;;;;/h5-9,16H,10-14H2,1-4H3;4-8,15H,9-13H2,1-3H3,(H,20,22);4-5,10,13H,6-9H2,1-3H3,(H2,18,23,24);12H,8-11H2,1-7H3,(H,18,21);6-9H,1-5H3;9,13H,5-8H2,1-4H3;8H,4-7,12H2,1-3H3;3-5H,1-2H3;6,9H,2-5H2,1H3,(H2,8,11,12);3H,2H2,1H3;1H3;1,3H;8*1H4;1H3;;/q;;;;;;;;;;;;;;;;;;;;-1;+1;/i;;;;;;;;;;1D;;;;;;;;;;;;
InChIKeyIFHCFLRUMSTMHI-WWXAMOCPSA-N
MW3027.70 g/mol
LogP17.35
Rot. Bonds19

About sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium

sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium (PubChem CID 164959542) has the molecular formula C138H239ClFN24NaO30PdS4 and a molecular weight of 3027.70 g/mol. Its IUPAC name is sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium.

Molecular Properties

Compound Namesodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium
PubChem CID164959542
Molecular FormulaC138H239ClFN24NaO30PdS4
Molecular Weight3027.70 g/mol
Exact Mass3024.55
IUPAC Namesodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium
SMILESC.C.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CC2(CC(N)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(NC(=O)OCc3ccccc3)C2)C1.CCO.CN(C(=O)OCc1ccccc1)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2.CN(C)c1cc[n+](S(=O)(=O)NC(=O)OC(C)(C)C)cc1.CN(C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)S(=O)(=O)NC(=O)OC(C)(C)C.CN(C1CC2(CNC2)C1)S(N)(=O)=O.CNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c2cc1C.O=CO[O-].[2H]CF.[CH3-].[Na+].[Pd]
InChIInChI=1S/C20H28N2O4.C19H26N2O4.C17H23N5O2S.C17H31N3O6S.C12H19N3O4S.C12H22N2O2.C11H20N2O2.C10H9ClN2.C7H15N3O2S.C2H6O.CH3F.CH2O3.8CH4.CH3.Na.Pd/c1-19(2,3)26-18(24)22-13-20(14-22)10-16(11-20)21(4)17(23)25-12-15-8-6-5-7-9-15;1-18(2,3)25-17(23)21-12-19(13-21)9-15(10-19)20-16(22)24-11-14-7-5-4-6-8-14;1-11-4-14-15(5-12(11)2)19-10-20-16(14)22-8-17(9-22)6-13(7-17)21(3)25(18,23)24;1-15(2,3)25-13(21)18-27(23,24)19(7)12-8-17(9-12)10-20(11-17)14(22)26-16(4,5)6;1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5;1-11(2,3)16-10(15)14-7-12(8-14)5-9(6-12)13-4;1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-10(13(8,11)12)6-2-7(3-6)4-9-5-7;1-2-3;1-2;2-1-4-3;;;;;;;;;;;/h5-9,16H,10-14H2,1-4H3;4-8,15H,9-13H2,1-3H3,(H,20,22);4-5,10,13H,6-9H2,1-3H3,(H2,18,23,24);12H,8-11H2,1-7H3,(H,18,21);6-9H,1-5H3;9,13H,5-8H2,1-4H3;8H,4-7,12H2,1-3H3;3-5H,1-2H3;6,9H,2-5H2,1H3,(H2,8,11,12);3H,2H2,1H3;1H3;1,3H;8*1H4;1H3;;/q;;;;;;;;;;;;;;;;;;;;-1;+1;/i;;;;;;;;;;1D;;;;;;;;;;;;
InChIKeyIFHCFLRUMSTMHI-WWXAMOCPSA-N
XLogP17.35
TPSA672.14 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds19
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003027.70
LogP ≤ 517.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 6-(cyclopropylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;4-[6-[cyclopropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-6,7-dimethylquinazoline;6-[cyclopropyl(sulfamoyl)amino]-2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptane;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 165102561

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium?
The IUPAC name of sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium (CID 164959542) is sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium.
What is the SMILES notation for sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium?
The canonical SMILES for sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium is C.C.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CC2(CC(N)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(NC(=O)OCc3ccccc3)C2)C1.CCO.CN(C(=O)OCc1ccccc1)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2.CN(C)c1cc[n+](S(=O)(=O)NC(=O)OC(C)(C)C)cc1.CN(C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)S(=O)(=O)NC(=O)OC(C)(C)C.CN(C1CC2(CNC2)C1)S(N)(=O)=O.CNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c2cc1C.O=CO[O-].[2H]CF.[CH3-].[Na+].[Pd].
What is the InChIKey of sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium?
The InChIKey is IFHCFLRUMSTMHI-WWXAMOCPSA-N. The full InChI is InChI=1S/C20H28N2O4.C19H26N2O4.C17H23N5O2S.C17H31N3O6S.C12H19N3O4S.C12H22N2O2.C11H20N2O2.C10H9ClN2.C7H15N3O2S.C2H6O.CH3F.CH2O3.8CH4.CH3.Na.Pd/c1-19(2,3)26-18(24)22-13-20(14-22)10-16(11-20)21(4)17(23)25-12-15-8-6-5-7-9-15;1-18(2,3)25-17(23)21-12-19(13-21)9-15(10-19)20-16(22)24-11-14-7-5-4-6-8-14;1-11-4-14-15(5-12(11)2)19-10-20-16(14)22-8-17(9-22)6-13(7-17)21(3)25(18,23)24;1-15(2,3)25-13(21)18-27(23,24)19(7)12-8-17(9-12)10-20(11-17)14(22)26-16(4,5)6;1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5;1-11(2,3)16-10(15)14-7-12(8-14)5-9(6-12)13-4;1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-10(13(8,11)12)6-2-7(3-6)4-9-5-7;1-2-3;1-2;2-1-4-3;;;;;;;;;;;/h5-9,16H,10-14H2,1-4H3;4-8,15H,9-13H2,1-3H3,(H,20,22);4-5,10,13H,6-9H2,1-3H3,(H2,18,23,24);12H,8-11H2,1-7H3,(H,18,21);6-9H,1-5H3;9,13H,5-8H2,1-4H3;8H,4-7,12H2,1-3H3;3-5H,1-2H3;6,9H,2-5H2,1H3,(H2,8,11,12);3H,2H2,1H3;1H3;1,3H;8*1H4;1H3;;/q;;;;;;;;;;;;;;;;;;;;-1;+1;/i;;;;;;;;;;1D;;;;;;;;;;;;.
What are the key properties of sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium?
sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium has a molecular weight of 3027.70 g/mol, XLogP of 17.35, 19 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(phenylmethoxycarbonylamino)-2-azaspiro[3.3]heptane-2-carboxylate;carbanide;4-chloro-6,7-dimethylquinazoline;deuterio(fluoro)methane;6,7-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]quinazoline;ethanol;methane;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;oxido formate;palladium is sourced from PubChem (CID 164959542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).